5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole

C9H7ClN2OS2 — CID 56688916

IUPAC5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(Oc2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2OS2/c1-14-8-11-9(15-12-8)13-7-5-3-2-4-6(7)10/h2-5H,1H3
InChIKeyUVQKHFGNWFVLDK-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.71
Rot. Bonds3

About 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole

5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 56688916) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID56688916
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(Oc2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2OS2/c1-14-8-11-9(15-12-8)13-7-5-3-2-4-6(7)10/h2-5H,1H3
InChIKeyUVQKHFGNWFVLDK-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole (CID 56688916) is 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(Oc2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is UVQKHFGNWFVLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c1-14-8-11-9(15-12-8)13-7-5-3-2-4-6(7)10/h2-5H,1H3.
What are the key properties of 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 258.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 56688916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).